SCHEMBL1369022

SCHEMBL1369022

CC(C)(C)C(=O)Nc1nc2[nH]c3ccccc3c2c(=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 5/20 0.44
PDGFRB P09619 1/20 0.43
XBP1 P17861 1/20 0.40
EGFR P00533 2/20 0.40
KDR P35968 2/20 0.40
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
CHEK1 O14757 1/20 0.39
LMNA P02545 2/20 0.39
DAPK3 O43293 1/20 0.39
STK17B O94768 1/20 0.39
DAPK1 P53355 1/20 0.39
MELK Q14680 1/20 0.39
STK17A Q9UEE5 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12620149 0.82 SMN1; SMN2 (0.46) ALDH1A1HPGDSMN1; SMN2KDM4EPDGFRB
SCHEMBL1366483 0.82 PDGFRB (0.57) ALDH1A1HPGDSMN1; SMN2KDM4EPDGFRB
SCHEMBL1367379 0.79 PDGFRB (0.58) ALDH1A1HPGDKDM4EPDGFRBXBP1
SCHEMBL6649736 0.77 TYMS (0.56) ALDH1A1HPGDSMN1; SMN2KDM4EXBP1
SCHEMBL16509138 0.76 CHEK1 (0.46) ALDH1A1HPGDSMN1; SMN2KDM4EEGFR
SCHEMBL13539588 0.74 POLB (0.47) ALDH1A1HPGDSMN1; SMN2KDM4EXBP1
SCHEMBL18623608 0.74 LMNA (0.69) ALDH1A1SMN1; SMN2KDM4EPOLBLMNA
SCHEMBL6651272 0.73 TYMS (0.47) ALDH1A1HPGDSMN1; SMN2KDM4EXBP1
SCHEMBL311846 0.73 ALDH1A1 (0.49) ALDH1A1HPGDSMN1; SMN2KDM4EXBP1
SCHEMBL13915414 0.73 SMN1; SMN2 (0.46) ALDH1A1HPGDSMN1; SMN2PDGFRBMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11091500-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2021-08-17 US disclosed
US-10676483-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2020-06-09 US disclosed
EP-2310014-B1 TRICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF UNIV HOLY GHOST DUQUESNE (US) 2020-03-18 EP disclosed
US-20200017521-A1 TRICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2020-01-16 US disclosed
US-10464944-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2019-11-05 US disclosed
US-10414777-B2 Tricyclic compounds having antimitotic and/or antitumor activity and method of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2019-09-17 US disclosed
US-9987283-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-06-05 US disclosed
US-20180127434-A1 TRICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHOD OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-05-10 US disclosed
US-9802955-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-10-31 US disclosed
US-20170246170-A1 Tricyclic Compounds Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2017-08-31 US disclosed
US-20150252053-A1 Tricyclic Compounds Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2015-09-10 US disclosed
US-20150232477-A1 Tricyclic Compounds Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2015-08-20 US disclosed
US-9056869-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2015-06-16 US disclosed
US-9045489-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2015-06-02 US disclosed
US-20130096146-A1 Tricyclic Compounds Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2013-04-18 US disclosed
US-8309564-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2012-11-13 US disclosed
US-20110295002-A1 TRICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2011-12-01 US disclosed
US-20110288108-A1 TRICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF GANGJEE ALEEM (US) 2011-11-24 US disclosed
US-7982035-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2011-07-19 US disclosed
US-20090082374-A1 TRICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2009-03-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090082374-A1 TRICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF ABCG2, ABCC1, ABCB1 ALDH1A1 1890/4885HPGD 1154/4885SMN1; SMN2 4441/4885
US-20200017521-A1 TRICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF PLK1, AURKC, TOP1 ALDH1A1 2557/4885HPGD 1781/4885SMN1; SMN2 2226/4885
US-20110288108-A1 TRICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF ABCG2, ABCC1, ABCB1 ALDH1A1 1890/4885HPGD 1154/4885SMN1; SMN2 4441/4885
US-10676483-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof PLK1, AURKC, TOP1 ALDH1A1 2557/4885HPGD 1781/4885SMN1; SMN2 2226/4885
US-20150252053-A1 Tricyclic Compounds Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof ABCG2, ABCC1, ABCB1 ALDH1A1 1890/4885HPGD 1154/4885SMN1; SMN2 4441/4885
US-20180127434-A1 TRICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHOD OF USE THEREOF ABCG2, ABCC1, ABCB1 ALDH1A1 1886/4885HPGD 1180/4885SMN1; SMN2 4461/4885
US-20130096146-A1 Tricyclic Compounds Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof ABCG2, ABCC1, ABCB1 ALDH1A1 1890/4885HPGD 1154/4885SMN1; SMN2 4441/4885
US-11091500-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof ABCC1, ABCB1, ABCG2 ALDH1A1 2007/4885HPGD 1901/4885SMN1; SMN2 4266/4885
US-20150232477-A1 Tricyclic Compounds Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof ABCC1, ABCG2, TP53 ALDH1A1 2399/4885HPGD 1741/4885SMN1; SMN2 4366/4885
US-10464944-B2 Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof ABCC1, ABCG2, TP53 ALDH1A1 2399/4885HPGD 1741/4885SMN1; SMN2 4366/4885
US-20110295002-A1 TRICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF ABCG2, ABCC1, ABCB1 ALDH1A1 1890/4885HPGD 1154/4885SMN1; SMN2 4441/4885
US-20170246170-A1 Tricyclic Compounds Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof ABCC1, ABCG2, TP53 ALDH1A1 2399/4885HPGD 1741/4885SMN1; SMN2 4366/4885
US-10414777-B2 Tricyclic compounds having antimitotic and/or antitumor activity and method of use thereof ABCG2, ABCC1, ABCB1 ALDH1A1 1886/4885HPGD 1180/4885SMN1; SMN2 4461/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.